MedKoo Cat#: 561143 | Name: MDK-3046

Description:

WARNING: This product is for research use only, not for human or veterinary use.

MDK-3046, also known as HK inhibitor 2, is an inhibitor of YycG histidine kinase (HK). The last four digits of the CAS registry number are used in the name of this compound. MDK-3046 has potent antibiofim activity against Staphylococcus epidermidis.

Chemical Structure

MDK-3046
MDK-3046
CAS#352683-04-6

Theoretical Analysis

MedKoo Cat#: 561143

Name: MDK-3046

CAS#: 352683-04-6

Chemical Formula: C29H28N2O5S

Exact Mass: 516.1719

Molecular Weight: 516.61

Elemental Analysis: C, 67.42; H, 5.46; N, 5.42; O, 15.48; S, 6.21

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
MDK-3046; MDK3046; MDK 3046; HK inhibitor 2; HK-inhibitor-2
IUPAC/Chemical Name
{4-[3-(2-Ethyl-phenyl)-2(Z)-(2-ethyl-phenylimino)-4-oxo-thiazolidin-5(Z)-ylidenemethyl]-2-methoxy-phenoxy}-acetic acid
InChi Key
DZYMAABFFBOFLC-ACQOKJFWSA-N
InChi Code
InChI=1S/C29H28N2O5S/c1-4-20-10-6-8-12-22(20)30-29-31(23-13-9-7-11-21(23)5-2)28(34)26(37-29)17-19-14-15-24(25(16-19)35-3)36-18-27(32)33/h6-17H,4-5,18H2,1-3H3,(H,32,33)/b26-17+,30-29-
SMILES Code
COC1=CC(/C=C(S/C(N2C3=CC=CC=C3CC)=N\C4=C(CC)C=CC=C4)\C2=O)=CC=C1OCC(O)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 516.61 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Zhao D, Chen C, Liu H, Zheng L, Tong Y, Qu D, Han S. Biological evaluation of halogenated thiazolo[3,2-a]pyrimidin-3-one carboxylic acid derivatives targeting the YycG histidine kinase. Eur J Med Chem. 2014 Nov 24;87:500-7. doi:10.1016/j.ejmech.2014.09.096. Epub 2014 Oct 2. PubMed PMID: 25282671.